1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(phenylmethyl)pyrrolidine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(phenylmethyl)pyrrolidine Openeye Name: 2-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(phenylmethyl)pyrrolidine IUPAC Name: 2-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidine Traditional Name: 2-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidine Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23NO4S/c22-26(23,18-9-10-19-20(15-18)25-13-5-12-24-19)21-11-4-8-17(21)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,15,17H,4-5,8,11-14H2